N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide

C14H16ClF3N2O — CID 58495448

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide
SMILESO=C(N(Cc1ccc(Cl)nc1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O/c15-12-7-6-10(8-19-12)9-20(13(21)14(16,17)18)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyWSCBJZYWZYEPOJ-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.96
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide

N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide (PubChem CID 58495448) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide
PubChem CID58495448
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide
SMILESO=C(N(Cc1ccc(Cl)nc1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O/c15-12-7-6-10(8-19-12)9-20(13(21)14(16,17)18)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyWSCBJZYWZYEPOJ-UHFFFAOYSA-N
XLogP3.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide (CID 58495448) is N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide is O=C(N(Cc1ccc(Cl)nc1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide?
The InChIKey is WSCBJZYWZYEPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-12-7-6-10(8-19-12)9-20(13(21)14(16,17)18)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide?
N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide has a molecular weight of 320.74 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58495448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).